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	hartrees
Energy at 0K	-366.897197
Energy at 298.15K
HF Energy	-366.897197
Nuclear repulsion energy	64.187910

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3789	3750	66.54	80.45	0.27	0.42
2	A'	2195	2173	93.05	93.98	0.25	0.40
3	A'	2140	2118	87.22	150.06	0.08	0.14
4	A'	973	963	126.91	3.62	0.58	0.74
5	A'	937	928	95.73	9.12	0.73	0.85
6	A'	904	895	55.49	12.26	0.70	0.82
7	A'	824	815	116.22	7.96	0.18	0.31
8	A'	669	662	54.75	4.59	0.62	0.77
9	A"	2136	2114	158.69	57.70	0.75	0.86
10	A"	908	899	57.93	12.79	0.75	0.86
11	A"	686	679	53.20	8.42	0.75	0.86
12	A"	218	216	92.12	1.72	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.030	-0.532	0.000
O2	0.030	1.131	0.000
H3	1.470	-0.924	0.000
H4	-0.646	-1.108	1.212
H5	-0.646	-1.108	-1.212
H6	-0.844	1.545	0.000

	Si1	O2	H3	H4	H5	H6
Si1		1.6634	1.4924	1.5024	1.5024	2.2544
O2	1.6634		2.5093	2.6345	2.6345	0.9679
H3	1.4924	2.5093		2.4457	2.4457	3.3847
H4	1.5024	2.6345	2.4457		2.4230	2.9241
H5	1.5024	2.6345	2.4457	2.4230		2.9241
H6	2.2544	0.9679	3.3847	2.9241	2.9241

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	O2	H6	115.351	O2	Si1	H3	105.210
O2	Si1	H4	112.548	O2	Si1	H5	112.548
H3	Si1	H4	109.501	H3	Si1	H5	109.501
H4	Si1	H5	107.491

All results from a given calculation for SiH₃OH (silanol)

using model chemistry: PBEPBEultrafine/6-31G(2df,p)

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	Si	0.045
2	O	-0.387
3	H	0.027
4	H	0.006
5	H	0.006
6	H	0.305

	x	y	z	Total
	-1.305	0.243	0.000	1.327
CHELPG
AIM
ESP

	x	y	z
x	4.210	-0.113	0.000
y	-0.113	4.241	0.000
z	0.000	0.000	4.030

<r²>	39.316
(<r²>)^1/2	6.270

All results from a given calculation for SiH3OH (silanol)

using model chemistry: PBEPBEultrafine/6-31G(2df,p)

States and conformations

All results from a given calculation for SiH₃OH (silanol)